4-methylbenzenesulfonate; pyridin-1-ium-1,2-diamine

Systemtic Name: 4-methylbenzenesulfonate; pyridin-1-ium-1,2-diamine Openeye Name: 4-methylbenzenesulfonate; pyridin-1-ium-1,2-diamine CAS Name: 4-methylbenzenesulfonate; pyridin-1-ium-1,2-diamine IUPAC Name: 4-methylbenzenesulfonate; pyridin-1-ium-1,2-diamine Traditional Name: (1-aminopyridin-1-ium-2-yl)amine tosylate Formula: C12H15N3O3S MolecularWeight: 281.3308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=[N+](C(=C1)N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=[N+](C(=C1)N)N

InChI

InChI=1S/C7H8O3S.C5H7N3/c1-6-2-4-7(5-3-6)11(8,9)10;6-5-3-1-2-4-8(5)7/h2-5H,1H3,(H,8,9,10);1-4,6H,7H2